3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid

C14H9N3O4 — CID 117251777

IUPAC3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
SMILESO=C(O)c1ccn2c(-c3cccnc3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H9N3O4/c18-13(19)8-3-5-17-10(6-8)11(14(20)21)16-12(17)9-2-1-4-15-7-9/h1-7H,(H,18,19)(H,20,21)
InChIKeyCOFVXILOEONEKW-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.79
Rot. Bonds3

About 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid

3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid (PubChem CID 117251777) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid.

Molecular Properties

Compound Name3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
PubChem CID117251777
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
SMILESO=C(O)c1ccn2c(-c3cccnc3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H9N3O4/c18-13(19)8-3-5-17-10(6-8)11(14(20)21)16-12(17)9-2-1-4-15-7-9/h1-7H,(H,18,19)(H,20,21)
InChIKeyCOFVXILOEONEKW-UHFFFAOYSA-N
XLogP1.79
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The IUPAC name of 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid (CID 117251777) is 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid.
What is the SMILES notation for 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The canonical SMILES for 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid is O=C(O)c1ccn2c(-c3cccnc3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The InChIKey is COFVXILOEONEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-13(19)8-3-5-17-10(6-8)11(14(20)21)16-12(17)9-2-1-4-15-7-9/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid is sourced from PubChem (CID 117251777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).